当前位置: 首页 » 资料 » 化学物质数据库 » methyl bicyclo[3.2.1]octane-7-carboxylate,Canonical SMILES: COC(=O)C1

methyl bicyclo[3.2.1]octane-7-carboxylate,Canonical SMILES: COC(=O)C1

放大字体  缩小字体 更新日期:2018-11-23  浏览次数:2
摘 要: methyl bicyclo[3.2.1]octane-7-carboxylate,Canonical SMILES: COC(=O)C1CC2CCCC1C2,InChI: InChI=1/C10H16O2/c1-12-10(11)9-6-7-3-2-4-8(9)5-7/h7-9H,2-6H2,1H3,Molecular Weight168.23284 [g/mol]Molecular FormulaC10H16O2XLogP2.8H-Bond Donor0H-Bond Acceptor2Ro
[Synonyms]

[Structure]
 methyl bicyclo[3.2.1]octane-7-carboxylate,Canonical SMILES: COC(=O)C1

[ Properties Computed from Structure]
Molecular Weight168.23284 [g/mol]
Molecular FormulaC10H16O2
XLogP2.8
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count2
Exact Mass168.11503
MonoIsotopic Mass168.11503
Topological Polar Surface Area26.3
Heavy Atom Count12
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count3
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: methyl bicyclo[3.2.1]octane-7-carboxylate
Canonical SMILES: COC(=O)C1CC2CCCC1C2
InChI: InChI=1/C10H16O2/c1-12-10(11)9-6-7-3-2-4-8(9)5-7/h7-9H,2-6H2,1H3

 
本文导航:
  • (1) methyl bicyclo[3.2.1]octane-7-carboxylate,Canonical SMILES: COC(=O)C1
  • 下一篇:鳖甲
  • 上一篇:暂无
 
[ 资料搜索 ]  [ 加入收藏 ]  [ 告诉好友 ]  [ 打印本文 ]  [ 关闭窗口 ]

 

 
推荐图文
推荐资料
热门关注